1,4-dihydroquinoline;ethane;molecular hydrogen

C11H17N — CID 142433841

IUPAC1,4-dihydroquinoline;ethane;molecular hydrogen
SMILESC1=CNc2ccccc2C1.CC.[H][H]
InChIInChI=1S/C9H9N.C2H6.H2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2;/h1-4,6-7,10H,5H2;1-2H3;1H
InChIKeyKZZQHFUAJOKJGF-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.44
Rot. Bonds

About 1,4-dihydroquinoline;ethane;molecular hydrogen

1,4-dihydroquinoline;ethane;molecular hydrogen (PubChem CID 142433841) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1,4-dihydroquinoline;ethane;molecular hydrogen.

Molecular Properties

Compound Name1,4-dihydroquinoline;ethane;molecular hydrogen
PubChem CID142433841
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1,4-dihydroquinoline;ethane;molecular hydrogen
SMILESC1=CNc2ccccc2C1.CC.[H][H]
InChIInChI=1S/C9H9N.C2H6.H2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2;/h1-4,6-7,10H,5H2;1-2H3;1H
InChIKeyKZZQHFUAJOKJGF-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroquinoline;ethane;molecular hydrogen?
The IUPAC name of 1,4-dihydroquinoline;ethane;molecular hydrogen (CID 142433841) is 1,4-dihydroquinoline;ethane;molecular hydrogen.
What is the SMILES notation for 1,4-dihydroquinoline;ethane;molecular hydrogen?
The canonical SMILES for 1,4-dihydroquinoline;ethane;molecular hydrogen is C1=CNc2ccccc2C1.CC.[H][H].
What is the InChIKey of 1,4-dihydroquinoline;ethane;molecular hydrogen?
The InChIKey is KZZQHFUAJOKJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C2H6.H2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2;/h1-4,6-7,10H,5H2;1-2H3;1H.
What are the key properties of 1,4-dihydroquinoline;ethane;molecular hydrogen?
1,4-dihydroquinoline;ethane;molecular hydrogen has a molecular weight of 163.26 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroquinoline;ethane;molecular hydrogen is sourced from PubChem (CID 142433841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).